Abstract
Boron phosphide nanotubes (BPNTs) are promising materials for optoelectronic applications, yet their nonlinear optical (NLO) properties, crucial for advanced photonic technologies, remain largely unexplored. This paper presents a comprehensive theoretical investigation of the linear and NLO responses of zigzag (n, 0) BPNTs within the range 20 ≤ n ≤ 28, using a fifth nearest-neighbor tight-binding model combined with the density-matrix formalism. The effects of nanotube radius and an external axial magnetic field are systematically analyzed. The results reveal that increasing the nanotube radius induces systematic red-shifts of infrared absorption peaks and a unique blue-shift in the visible range. More significantly, an axial magnetic field, via the Aharonov-Bohm effect, lifts subband degeneracy, causing a predictable splitting of all optical peaks. This magneto-optical coupling leads to a dramatic and tunable enhancement of NLO phenomena, with the primary third-harmonic generation (THG) peak intensity increasing under magnetic fields. This study provides the first comprehensive account of NLO effects in BPNTs, establishing magnetic-field control as a powerful strategy for designing tunable nanophotonic devices like optical switches and frequency converters.